1-phenyl-2-[(5-{2-[(propan-2-yl)oxy]phenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-phenyl-2-[(5-{2-[(propan-2-yl)oxy]phenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-phenyl-2-[(5-{2-[(propan-2-yl)oxy]phenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
Compound ID: | 7919-0015 |
Compound Name: | 1-phenyl-2-[(5-{2-[(propan-2-yl)oxy]phenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
Molecular Weight: | 353.44 |
Molecular Formula: | C19 H19 N3 O2 S |
Smiles: | CC(C)Oc1ccccc1c1nnc([nH]1)SCC(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.2208 |
logD: | 2.1512 |
logSw: | -3.8508 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.61 |
InChI Key: | MYXNTGGWMSVWFE-UHFFFAOYSA-N |